4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide

C16H23N3O — CID 79163467

IUPAC4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C16H23N3O/c1-12-5-8-19(9-6-12)16(20)18-15-3-2-13-4-7-17-11-14(13)10-15/h2-3,10,12,17H,4-9,11H2,1H3,(H,18,20)
InChIKeyYUQRRZOHLPNVBI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.60
Rot. Bonds1

About 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide

4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide (PubChem CID 79163467) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide
PubChem CID79163467
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C16H23N3O/c1-12-5-8-19(9-6-12)16(20)18-15-3-2-13-4-7-17-11-14(13)10-15/h2-3,10,12,17H,4-9,11H2,1H3,(H,18,20)
InChIKeyYUQRRZOHLPNVBI-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63902333
4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167897402
6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 166237499
N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide
CID 69182135
(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
CID 103806993
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 63901315

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide (CID 79163467) is 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1.
What is the InChIKey of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide?
The InChIKey is YUQRRZOHLPNVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-5-8-19(9-6-12)16(20)18-15-3-2-13-4-7-17-11-14(13)10-15/h2-3,10,12,17H,4-9,11H2,1H3,(H,18,20).
What are the key properties of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide?
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide is sourced from PubChem (CID 79163467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).